SCHEMBL2270758

SCHEMBL2270758

Cc1c(OCc2ccccc2)c(=O)ccn1CCCOCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
ALDH1A1 P00352 2/20 0.68
HPGD P15428 1/20 0.68
NPC1 O15118 1/20 0.62
NPSR1 Q6W5P4 2/20 0.61
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
MAPK14 Q16539 1/20 0.42
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
CYP2D6 P10635 1/20 0.40
TEAD3 Q99594 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10402472 0.93 MEN1 (0.65) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3354717 0.92 HTT (0.71) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL20382958 0.87 HTT (0.71) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8102028 0.86 HTT (0.70) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3289112 0.86 HTT (0.70) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL13060127 0.86 HTT (0.70) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL6327211 0.85 MEN1 (0.68) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL30982687 0.85 MEN1 (0.68) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL30982572 0.85 MEN1 (0.68) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8108601 0.85 HTT (0.68) HTTSMN1; SMN2MEN1KMT2AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110200536-A1 CHELATORS, PARAMAGNETIC CHELATES THEREOF AND THEIR USE AS CONTRAST AGENTS IN MAGNETIC RESONANCE IMAGING (MRI) GE HEALTHCARE AS (NO) 2011-08-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110200536-A1 CHELATORS, PARAMAGNETIC CHELATES THEREOF AND THEIR USE AS CONTRAST AGENTS IN MAGNETIC RESONANCE IMAGING (MRI) TSPO, PML, AIP HTT 410/4885SMN1; SMN2 2492/4885MEN1 575/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.